 CU1     0.374   0.832   0.924
  O2     -0.958  -0.019   2.059
  O3      1.591   1.430  -0.468
  O4      1.682  -0.486   1.502
  O5     -1.037   1.899   0.086
  O6      0.858   2.495   2.155
  N7     -3.718  -2.923   0.833
  N8      2.183  -4.278  -0.271
  N9      0.467   3.698   4.017
 C10     -1.705  -0.949   1.637
 C11     -2.724  -1.494   2.550
 C12     -3.742  -2.428   2.129
 C13     -4.669  -2.864   3.075
 C14     -4.643  -2.396   4.385
 C15     -3.670  -1.501   4.790
 C16     -2.752  -1.064   3.881
 C17     -4.809  -3.495   0.135
 C18     -4.487  -4.386  -0.903
 C19     -5.467  -4.899  -1.732
 C20     -6.796  -4.539  -1.549
 C21     -7.088  -3.675  -0.493
 C22     -6.132  -3.149   0.334
 C23     -5.063  -5.860  -2.853
 C24     -7.899  -5.010  -2.473
 C25      1.752  -1.618   0.911
 C26      2.710  -2.622   1.428
 C27      2.885  -3.911   0.852
 C28      3.739  -4.797   1.498
 C29      4.419  -4.475   2.612
 C30      4.322  -3.191   3.149
 C31      3.441  -2.305   2.585
 C32      2.631  -5.241  -1.236
 C33      1.660  -5.938  -1.923
 C34      2.035  -6.858  -2.942
 C35      3.352  -7.003  -3.269
 C36      4.324  -6.310  -2.557
 C37      3.948  -5.425  -1.548
 C38      0.950  -7.618  -3.652
 C39      3.885  -7.912  -4.414
 C40      0.227   2.750   3.199
 C41      1.646   4.576   3.788
 C42     -0.248   3.920   5.249
CU43    -0.374  -0.832  -0.924
 C44      1.705   0.949  -1.637
 C45     -1.752   1.618  -0.911
 O46     -1.591  -1.430   0.468
 O47      1.037  -1.899  -0.086
 O48      0.958   0.019  -2.059
 O49     -1.682   0.486  -1.502
 O50     -0.858  -2.495  -2.155
 C51      2.724   1.494  -2.550
 C52     -2.710   2.622  -1.428
 C53     -0.227  -2.750  -3.199
 C54      3.742   2.428  -2.129
 C55      2.752   1.064  -3.881
 C56     -2.885   3.911  -0.852
 C57     -3.441   2.305  -2.585
 N58     -0.467  -3.698  -4.017
 N59      3.718   2.923  -0.833
 C60      4.669   2.864  -3.075
 C61      3.670   1.501  -4.790
 N62     -2.183   4.278   0.271
 C63     -3.739   4.797  -1.498
 C64     -4.322   3.191  -3.149
 C65     -1.646  -4.576  -3.788
 C66      0.248  -3.920  -5.249
 C67      4.809   3.495  -0.135
 C68      4.643   2.396  -4.385
 C69     -2.631   5.241   1.236
 C70     -4.419   4.475  -2.612
 C71      4.487   4.386   0.903
 C72      6.132   3.149  -0.334
 C73     -1.660   5.938   1.923
 C74     -3.948   5.425   1.548
 C75      5.467   4.899   1.732
 C76      7.088   3.675   0.493
 C77     -2.035   6.858   2.942
 C78     -4.324   6.310   2.557
 C79      6.796   4.539   1.549
 C80      5.063   5.860   2.853
 C81     -3.352   7.003   3.269
 C82     -0.950   7.618   3.652
 C83      7.899   5.010   2.473
 C84     -3.885   7.912   4.414

*s-C11-C16

CU1-CU43
CU1-O2
CU1-O3
CU1-O4
CU1-O5
CU1-O6
N7-C12
N8-C27
N9-C40
O2-C10-C11-C12-C13-C14-C15
C11-C16
N7-C17-C18-C19-C20-C21
C17-C22
C19-C23
C20-C24
O4-C25-C26-C27-C28-C29-C30
C26-C31
N8-C32-C33-C34-C35-C36
C32-C37
C34-C38
C35-C39
O6-C40
N9-C41
N9-C42
CU43-O48
O3-C44
O5-C45
C10-O46
C25-O47
C44-O48
CU43-O49
CU43-O50
C44-C51
C45-C52
O50-C53
C51-C54
C51-C55
C52-C56
C52-C57
C53-N58
C54-N59
C54-C60
C55-C61
C56-N62
C56-C63
C57-C64
N58-C65
N58-C66
N59-C67
C60-C68
N62-C69
C63-C70
C67-C71
C67-C72
C69-C73
C69-C74
C71-C75
C72-C76
C73-C77
C74-C78
C75-C79
C75-C80
C77-C81
C77-C82
C79-C83
C81-C84
C15-C16
C21-C22
C30-C31
C36-C37
CU43-O46
CU43-O47
C45-O49
C61-C68
C64-C70
C76-C79
C78-C81

